2-bromo-4-(4,5-dihydro-1H-imidazol-2-yl)phenol

C9H9BrN2O — CID 136822392

IUPAC2-bromo-4-(4,5-dihydro-1H-imidazol-2-yl)phenol
SMILESOc1ccc(C2=NCCN2)cc1Br
InChIInChI=1S/C9H9BrN2O/c10-7-5-6(1-2-8(7)13)9-11-3-4-12-9/h1-2,5,13H,3-4H2,(H,11,12)
InChIKeyGPWJSTHNWHDFSN-UHFFFAOYSA-N
MW241.09 g/mol
LogP1.50
Rot. Bonds1

About 2-bromo-4-(4,5-dihydro-1H-imidazol-2-yl)phenol

2-bromo-4-(4,5-dihydro-1H-imidazol-2-yl)phenol (PubChem CID 136822392) has the molecular formula C9H9BrN2O and a molecular weight of 241.09 g/mol. Its IUPAC name is 2-bromo-4-(4,5-dihydro-1H-imidazol-2-yl)phenol.

Molecular Properties

Compound Name2-bromo-4-(4,5-dihydro-1H-imidazol-2-yl)phenol
PubChem CID136822392
Molecular FormulaC9H9BrN2O
Molecular Weight241.09 g/mol
Exact Mass239.99
IUPAC Name2-bromo-4-(4,5-dihydro-1H-imidazol-2-yl)phenol
SMILESOc1ccc(C2=NCCN2)cc1Br
InChIInChI=1S/C9H9BrN2O/c10-7-5-6(1-2-8(7)13)9-11-3-4-12-9/h1-2,5,13H,3-4H2,(H,11,12)
InChIKeyGPWJSTHNWHDFSN-UHFFFAOYSA-N
XLogP1.50
TPSA44.62 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.09
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(4,5-dihydro-1H-imidazol-2-yl)-2-ethoxyphenol
CID 136822415
2-naphthalen-2-yl-4,5-dihydro-1H-imidazole
CID 11769428
2-[4-[3-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]phenyl]phenyl]-4,5-dihydro-1H-imidazole
CID 71747659
4-(4,5-dihydro-1H-imidazol-2-yl)benzene-1,3-diol
CID 4583261
2-(3,5-dibromo-4-ethoxyphenyl)-4,5-dihydro-1H-imidazole
CID 110535982
5-(4,5-dihydro-1H-imidazol-2-yl)-2-[4-(4,5-dihydro-1H-imidazol-2-yl)-2-hydroxyphenyl]-1-benzofuran-7-ol;dihydrochloride
CID 25140934
4-(4,5-dihydro-1H-imidazol-2-yl)aniline;dihydrochloride
CID 131857120
2-thianthren-2-yl-4,5-dihydro-1H-imidazole
CID 10779436
3-(4,5-dihydro-1H-imidazol-2-yl)-5,6,7,8-tetrahydronaphthalen-2-ol;hydrochloride
CID 135546480
3-(4,5-dihydro-1H-imidazol-2-yl)benzenethiol
CID 45120784
2-naphthalen-2-yl-4,5-dihydro-1H-imidazole;oxalate
CID 162678930
5-(4,5-dihydro-1H-imidazol-2-yl)-2-[5-(4,5-dihydro-1H-imidazol-2-yl)-2-pyridinyl]pyridine
CID 139983426

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-(4,5-dihydro-1H-imidazol-2-yl)phenol?
The IUPAC name of 2-bromo-4-(4,5-dihydro-1H-imidazol-2-yl)phenol (CID 136822392) is 2-bromo-4-(4,5-dihydro-1H-imidazol-2-yl)phenol.
What is the SMILES notation for 2-bromo-4-(4,5-dihydro-1H-imidazol-2-yl)phenol?
The canonical SMILES for 2-bromo-4-(4,5-dihydro-1H-imidazol-2-yl)phenol is Oc1ccc(C2=NCCN2)cc1Br.
What is the InChIKey of 2-bromo-4-(4,5-dihydro-1H-imidazol-2-yl)phenol?
The InChIKey is GPWJSTHNWHDFSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9BrN2O/c10-7-5-6(1-2-8(7)13)9-11-3-4-12-9/h1-2,5,13H,3-4H2,(H,11,12).
What are the key properties of 2-bromo-4-(4,5-dihydro-1H-imidazol-2-yl)phenol?
2-bromo-4-(4,5-dihydro-1H-imidazol-2-yl)phenol has a molecular weight of 241.09 g/mol, XLogP of 1.50, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-(4,5-dihydro-1H-imidazol-2-yl)phenol is sourced from PubChem (CID 136822392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).